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Ligand

NameCHEMBL40986
Molecular formulaC9H12FNO3
IUPAC name4-fluoro-5-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Molecular weight201.197
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP0.0
Synonyms(R)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol
AKOS027396874
4-[(R)-1-Hydroxy-2-(methylamino)ethyl]-5-fluoro-1,2-benzenediol
BDBM50087515
SCHEMBL6285589
Inchi KeyDKBXREAGJFVVAP-VIFPVBQESA-N
Inchi IDInChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3/t9-/m0/s1
PubChem CID10774431
ChEMBLCHEMBL40986
IUPHARN/A
BindingDB50087515
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
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GLASS IDNameUniProtGeneSpeciesLength
62068Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
62069Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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